methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate

C18H16O5 — CID 90942323

IUPACmethyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2oc(C(O)c3ccccc3)cc12
InChIInChI=1S/C18H16O5/c1-21-14-9-8-12(18(20)22-2)13-10-15(23-17(13)14)16(19)11-6-4-3-5-7-11/h3-10,16,19H,1-2H3
InChIKeyVEVKNXBCFPBEPT-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.31
Rot. Bonds4

About methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate

methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate (PubChem CID 90942323) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate
PubChem CID90942323
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Namemethyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2oc(C(O)c3ccccc3)cc12
InChIInChI=1S/C18H16O5/c1-21-14-9-8-12(18(20)22-2)13-10-15(23-17(13)14)16(19)11-6-4-3-5-7-11/h3-10,16,19H,1-2H3
InChIKeyVEVKNXBCFPBEPT-UHFFFAOYSA-N
XLogP3.31
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate?
The IUPAC name of methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate (CID 90942323) is methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate.
What is the SMILES notation for methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate?
The canonical SMILES for methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate is COC(=O)c1ccc(OC)c2oc(C(O)c3ccccc3)cc12.
What is the InChIKey of methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate?
The InChIKey is VEVKNXBCFPBEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-21-14-9-8-12(18(20)22-2)13-10-15(23-17(13)14)16(19)11-6-4-3-5-7-11/h3-10,16,19H,1-2H3.
What are the key properties of methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate?
methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate is sourced from PubChem (CID 90942323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).